N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine

C14H11ClN2O — CID 171680431

IUPACN-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine
SMILESClc1ccc(NCc2cc3ccccc3o2)nc1
InChIInChI=1S/C14H11ClN2O/c15-11-5-6-14(16-8-11)17-9-12-7-10-3-1-2-4-13(10)18-12/h1-8H,9H2,(H,16,17)
InChIKeyJPBPWSOAWDTPDC-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.09
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine

N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine (PubChem CID 171680431) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine
PubChem CID171680431
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC NameN-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine
SMILESClc1ccc(NCc2cc3ccccc3o2)nc1
InChIInChI=1S/C14H11ClN2O/c15-11-5-6-14(16-8-11)17-9-12-7-10-3-1-2-4-13(10)18-12/h1-8H,9H2,(H,16,17)
InChIKeyJPBPWSOAWDTPDC-UHFFFAOYSA-N
XLogP4.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine (CID 171680431) is N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine is Clc1ccc(NCc2cc3ccccc3o2)nc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine?
The InChIKey is JPBPWSOAWDTPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-5-6-14(16-8-11)17-9-12-7-10-3-1-2-4-13(10)18-12/h1-8H,9H2,(H,16,17).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine?
N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 171680431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).